PubChemLite - Fumiquinazoline c (C24H21N5O4)

Structural Information

Molecular Formula

SMILES

C[C@H]1C(=O)N2[C@H](N1)[C@]3(C[C@@H]4C(=O)N[C@@](O3)(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72

InChI

InChI=1S/C24H21N5O4/c1-12-19(31)28-16-10-6-4-8-14(16)24(22(28)25-12)11-17-18(30)27-23(2,33-24)21-26-15-9-5-3-7-13(15)20(32)29(17)21/h3-10,12,17,22,25H,11H2,1-2H3,(H,27,30)/t12-,17+,22-,23-,24-/m0/s1

InChIKey

POEYRUBMWIOMTB-LTQSKDJASA-N

Compound name

(1R,2'S,3'aS,12S,14S)-2',12-dimethylspiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	444.16664	191.5
[M+Na]+	466.14858	198.1
[M+NH4]+	461.19318	197.8
[M+K]+	482.12252	195.7
[M-H]-	442.15208	190.3
[M+Na-2H]-	464.13403	188.4
[M]+	443.15881	192.3
[M]-	443.15991	192.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.16664

191.5

[M+Na]+

466.14858

198.1

[M+NH4]+

461.19318

197.8

[M+K]+

482.12252

195.7

[M-H]-

442.15208

190.3

[M+Na-2H]-

464.13403

188.4

[M]+

443.15881

192.3

[M]-

443.15991

192.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fumiquinazoline c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe